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Molecule
Cyanamide
CAS: 420-04-2 · CH2N2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 420-04-2
- Molecular Formula
- CH2N2
- Molecular Mass
- 42.04 g/mol
Identifiers
CAS Registry Number
420-04-2
SMILES
N#CN
InChI Key
XZMCDFZZKTWFGF-UHFFFAOYSA-N
InChI
InChI=1S/CH2N2/c2-1-3/h2H2
Names and Synonyms
- Cyanamide Common Name
- Cyanamide Synonym
- Amidocyanogen Synonym
- Cyanogenamide Synonym
- Cyanogen nitride Synonym
- Carbamonitrile Synonym
- Cyanoamine Synonym
- Hydrogen cyanamide Synonym
- N-Cyanoamine Synonym
- Alzogur Synonym
- Carbimide Synonym
- TsAKS Synonym
- NSC 24133 Synonym
- Dormex Synonym
- Deurbraak Synonym
- Cyanamide F 1000 Synonym
- F 1000 Synonym
- Dyhard VP 111 Synonym
- Amino cyanide Synonym
- CY 100 Synonym
- Dormax Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 42.04 g/mol | CAS Common Chemistry |
| 42.041 g/mol | RDKit | |
| Density | 1.28 g/cm³ | CAS Common Chemistry |
| 1.282 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Cyanamide | CAS Common Chemistry |
| Canonical SMILES | N#CN | CAS Common Chemistry |
| InChI | InChI=1S/CH2N2/c2-1-3/h2H2 | CAS Common Chemistry |
| InChI Key | InChIKey=XZMCDFZZKTWFGF-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 45-46 °C | CAS Common Chemistry |
| Name | Cyanamide | CAS Common Chemistry |
| Heavy Atom Count | 3 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 49.81 Ų | RDKit |
| LogP | -0.57382 | RDKit |
| -0.5738 | RDKit | |
| -0.63 | chempirical lib | |
| Molar Refractivity | 9.8004 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 42.021798063999995 g/mol | RDKit |
| Boiling Point | 83 °C @ 0.5 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
7
6
5
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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Quick conversion
MW = 42.04 g/mol; density = 1.280 g/mL. Edit any field — others recompute live.
